SCHEMBL5869993

SCHEMBL5869993

CC(C)CC(NC(=O)C(C)(S)Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.60
SORT1 Q99523 1/20 0.60
MME P08473 4/20 0.56
LTA4H P09960 1/20 0.51
ACE P12821 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
FOLH1 Q04609 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11516645 0.82 ACE (0.60) ACE
SCHEMBL11803631 0.78 GRN (0.53) GRNSORT1MMELTA4HACE
SCHEMBL28951535 0.77 CTSK (0.55) GRNSORT1MMELTA4H
SCHEMBL28951532 0.77 CTSK (0.55) GRNSORT1MMELTA4H
SCHEMBL11274358 0.77 GRN (0.52) GRNSORT1MMELTA4H
SCHEMBL24668413 0.76 ALDH1A1 (0.58) GRNSORT1MMEACEACE2
SCHEMBL19181234 0.76 MME (0.51) GRNSORT1MMELTA4HACE
SCHEMBL19181235 0.76 MME (0.51) GRNSORT1MMELTA4HACE
SCHEMBL28703600 0.76 NPSR1 (0.66) GRNSORT1MMELTA4HNPSR1
SCHEMBL28703598 0.76 NPSR1 (0.66) GRNSORT1MMELTA4HNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed